%chk=000193720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193720

0 1
S 0.927575 -0.778054 0.915768
O 1.520102 -1.867677 1.675987
O 1.416155 -0.517537 -0.427607
N 1.175528 0.668454 1.822332
N -5.375881 0.327936 -0.290997
N 8.027747 -0.024015 -2.260014
C 4.231533 0.460497 0.985702
C 3.615108 1.331664 2.086203
C 5.589578 1.011719 0.530977
C 2.359824 0.707994 2.718707
C -0.792335 -0.941592 0.949312
C -1.656722 -0.201863 0.083213
C 6.154075 0.194778 -0.637847
C -3.066344 -0.314144 0.272506
C -3.952129 0.477787 -0.551715
C -1.316384 -1.805435 1.890093
C 7.556592 0.683674 -1.030615
C -1.169119 0.632324 -0.972334
C -3.571227 -1.229858 1.243785
C -2.716240 -1.966347 2.031061
C -3.439398 1.286742 -1.544669
C -2.036715 1.341959 -1.762146
C -5.822824 1.243555 0.803349
C -6.229516 0.477591 -1.504535
H 3.542502 0.394819 0.114887
H 4.347975 -0.582021 1.344051
H 4.361988 1.502632 2.887753
H 3.382074 2.335744 1.682404
H 5.484672 2.071808 0.228703
H 6.301149 1.004414 1.378719
H 2.583460 -0.322344 3.089476
H 2.066806 1.301660 3.616921
H 6.180823 -0.879819 -0.374070
H 5.476185 0.266690 -1.514550
H 1.066995 1.553802 1.311154
H -0.653575 -2.390023 2.544554
H 7.524680 1.769813 -1.276840
H 8.252383 0.570938 -0.171677
H -0.092706 0.667147 -1.188805
H -4.655972 -1.349101 1.341157
H -3.098824 -2.674564 2.763941
H -4.086588 1.891355 -2.175338
H -1.660207 1.967187 -2.573790
H -5.172413 1.116771 1.684383
H -6.845878 0.962046 1.101627
H -5.820170 2.309512 0.528730
H -5.848678 -0.181199 -2.303198
H -6.303400 1.500850 -1.901118
H -7.246155 0.130272 -1.253383
H 7.861278 -1.023142 -2.188124
H 9.029013 0.099802 -2.372879


%chk=000193720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193720

0 1
S 0.996211 -0.563659 0.525438
O 1.695513 -1.691493 1.477777
O 1.450496 -0.404533 -1.037889
N 1.221884 1.114896 1.379630
N -5.589457 0.371221 -0.189244
N 8.496428 -0.515033 -1.742963
C 4.363134 0.539558 0.976850
C 3.693296 1.519226 1.967713
C 5.795876 0.975576 0.595470
C 2.279001 1.106974 2.434260
C -0.883483 -0.819263 0.678244
C -1.806817 -0.066798 -0.119339
C 6.466479 0.016934 -0.413227
C -3.217544 -0.282942 0.174626
C -4.217788 0.499252 -0.538261
C -1.244636 -1.773205 1.620761
C 7.909307 0.428402 -0.768494
C -1.428835 0.816788 -1.182458
C -3.588217 -1.304008 1.108224
C -2.632285 -2.041967 1.809732
C -3.799681 1.328599 -1.597006
C -2.420438 1.467773 -1.918608
C -6.016390 0.706104 1.189916
C -6.600588 0.723281 -1.198339
H 3.754779 0.447917 0.053483
H 4.386869 -0.473583 1.425105
H 4.329711 1.611224 2.872376
H 3.649871 2.534953 1.518678
H 5.767689 1.999051 0.164427
H 6.417343 1.041831 1.514134
H 2.300038 0.088836 2.871337
H 1.916725 1.796033 3.222303
H 6.472738 -1.010417 0.010005
H 5.875100 -0.032368 -1.347277
H 1.454850 1.749150 0.588849
H -0.470634 -2.315345 2.173402
H 7.892510 1.433590 -1.234008
H 8.496323 0.523944 0.180301
H -0.374474 0.924789 -1.450228
H -4.650163 -1.536325 1.228630
H -2.937770 -2.834288 2.500028
H -4.536433 1.905457 -2.163726
H -2.134014 2.122093 -2.749539
H -5.185868 0.574435 1.898470
H -6.856104 0.058443 1.505376
H -6.352597 1.765359 1.255916
H -6.326658 0.294566 -2.176513
H -6.741363 1.823067 -1.318265
H -7.571896 0.293817 -0.893227
H 8.497750 -1.488640 -1.420620
H 9.410613 -0.234071 -2.111023


